ChemSpider 2D Image | 2-Methyl-2-propanyl N-{[methyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)amino](phenyl)acetyl}phenylalaninate | C30H41N3O6

2-Methyl-2-propanyl N-{[methyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)amino](phenyl)acetyl}phenylalaninate

  • Molecular FormulaC30H41N3O6
  • Average mass539.663 Da
  • Monoisotopic mass539.299561 Da
  • ChemSpider ID16499855

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Methyl-2-propanyl N-{[methyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)amino](phenyl)acetyl}phenylalaninate [ACD/IUPAC Name]
2-Methyl-2-propanyl-N-{[methyl(N-{[(2-methyl-2-propanyl)oxy]carbonyl}alanyl)amino](phenyl)acetyl}phenylalaninat [German] [ACD/IUPAC Name]
N-{2-[Méthyl(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}alanyl)amino]-2-phénylacétyl}phénylalaninate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Phenylalanine, N-[2-[[2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxopropyl]methylamino]-2-phenylacetyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 665.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 356.5±34.3 °C
Index of Refraction: 1.539
Molar Refractivity: 151.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2106.65
ACD/KOC (pH 5.5): 8159.92
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1082.54
ACD/KOC (pH 7.4): 4193.12
Polar Surface Area: 121 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 38.8±7.0 dyne/cm
Molar Volume: 483.9±7.0 cm3

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